Information card for entry 4340472

Structure parameters

• Formula: C73 H68 N2 O
• Calculated formula: C73 H68 N2 O
• SMILES: C(=O)(Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of a "Super Bulky" Guanidinate Possessing an Expandable Coordination Pocket.
• Authors of publication: Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 8155
• a: 28.013 ± 0.002 Å
• b: 38.621 ± 0.003 Å
• c: 10.3927 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11243.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No